5-(azepan-1-ylsulfonyl)-2-methoxy-N-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(3-oxo-3-pyrrolidin-1-yl-propyl)benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-methoxy-N-[3-oxo-3-(1-pyrrolidinyl)propyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-(3-keto-3-pyrrolidino-propyl)-2-methoxy-benzamide Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCCC(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCCC(=O)N3CCCC3

InChI

InChI=1S/C21H31N3O5S/c1-29-19-9-8-17(30(27,28)24-14-4-2-3-5-15-24)16-18(19)21(26)22-11-10-20(25)23-12-6-7-13-23/h8-9,16H,2-7,10-15H2,1H3,(H,22,26)